Dihydroisobruceine B
TL;DR: Dihydroisobruceine B (CAS 53663-04-0) is a chemical compound with molecular formula C23H30O11 and molecular weight 482.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate
Also Known As: DIHYDROISOBRUCEINE B, Methyl 15-(acetyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicrasan-21-oate
| Molecular Formula | C23H30O11 |
|---|---|
| Molecular Weight | 482.18 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.1788 |
| Heavy Atoms | 34 |
| Complexity | 965.0 |
Chemical Identifiers
| CAS Number | 53663-04-0 |
|---|---|
| SMILES | CC1CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O |
| InChIKey | UVVHNPQSTDHIMF-UHFFFAOYSA-N |
Product Overview
Dihydroisobruceine B (CAS 53663-04-0), with molecular formula C23H30O11 and molecular weight 482.18 g/mol. IUPAC: methyl 3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate.
Chemical Property Profile of Dihydroisobruceine B
Property Insights of Dihydroisobruceine B
The XLogP value of -0.5 indicates that Dihydroisobruceine B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Dihydroisobruceine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydroisobruceine B has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydroisobruceine B?
The CAS number of Dihydroisobruceine B is 53663-04-0.
What is the molecular formula of Dihydroisobruceine B?
The molecular formula of Dihydroisobruceine B is C23H30O11.
What is the molecular weight of Dihydroisobruceine B?
The molecular weight of Dihydroisobruceine B is 482.18 g/mol.
Where can I buy Dihydroisobruceine B?
You can request a quote for Dihydroisobruceine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroisobruceine B?
Yes, KEHONG BIO provides custom synthesis services for Dihydroisobruceine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.